Skip to content

PyHDX version 0.3.1

Choose a tag to compare

@Jhsmit Jhsmit released this 03 May 18:56
· 1293 commits to master since this release
b4da31d

Major changes:

  • Estimate errors in ΔG fit from covariances obtained from the Hessian
  • Allow fitting of multiple 'states' (conditions) in batch
  • Allow fitting of 2 aligned (homologous) protein conditions in batch
  • Added console entry script such that the pyhdx server can be started with pyhdx serve (#191)

Minor changes:

  • Input/output data table formats are now in comma separated values (.csv) format
  • Updated support for reloading and fitting data in batch from .yaml files
  • Updated rgb_to_hex function to work on arrays (vectorized)
  • Added a colorbar to plotting of peptides (in plot.py)
  • Refactored k_series to series in KineticsFitting objects
  • Refactored cov to coverage in KineticsSeries objects
  • Updates to docstrings
  • Protein full sequences can optionally be added to Protein objects
  • Moved fitting loop to separate function outside of main fitting object
  • Protein objects now more closely mimic pandas' dataframes

Web application updates:

  • 'Scores' (RFU) can be obtained as a table from the GUI
  • User feedback on relative contribution of regularizer to fit result
  • Control sidebar is now formatted as accordions where only one can be opened at a time
  • Panel requirement bumped to >= 0.11, fixing scrolling issues in sidebar
  • Added config file, currently lists default Dask cluster address to use
  • Various bug fixes!

Thanks to @sajetan for contributing (#191, #181)